2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide

C14H9F6N3O3S — CID 146323433

IUPAC2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H9F6N3O3S/c15-7-1-5(3-23(13(7)26)4-9(16)17)22-12(25)8-2-6(11(21)24)10(27-8)14(18,19)20/h1-3,9H,4H2,(H2,21,24)(H,22,25)
InChIKeyRKMZJBHHMLOQDT-UHFFFAOYSA-N
MW413.30 g/mol
LogP2.68
Rot. Bonds5

About 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide

2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide (PubChem CID 146323433) has the molecular formula C14H9F6N3O3S and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide
PubChem CID146323433
Molecular FormulaC14H9F6N3O3S
Molecular Weight413.30 g/mol
Exact Mass413.03
IUPAC Name2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H9F6N3O3S/c15-7-1-5(3-23(13(7)26)4-9(16)17)22-12(25)8-2-6(11(21)24)10(27-8)14(18,19)20/h1-3,9H,4H2,(H2,21,24)(H,22,25)
InChIKeyRKMZJBHHMLOQDT-UHFFFAOYSA-N
XLogP2.68
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
CID 71856501
N-(1-acetylpiperidin-4-yl)-4,5-dimethylthiophene-2-carboxamide
CID 45795972
2-{2-Methyl-4-oxo-4H,5H-thieno[3,2-C]pyridin-5-YL}-N-(propan-2-YL)acetamide
CID 46395981
N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395954
4,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 72112646
2,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
CID 72124526
5-[(2,2,2-Trifluoroacetylamino)methyl]-thiophene-3-carboxylic acid methylamide
CID 10244631
3,5-dimethyl-N-(6,6,6-trifluoro-3-oxohexan-2-yl)thiophene-2-carboxamide
CID 58458774
3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide
CID 58458782
5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458793

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide (CID 146323433) is 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide is NC(=O)c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F.
What is the InChIKey of 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide?
The InChIKey is RKMZJBHHMLOQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O3S/c15-7-1-5(3-23(13(7)26)4-9(16)17)22-12(25)8-2-6(11(21)24)10(27-8)14(18,19)20/h1-3,9H,4H2,(H2,21,24)(H,22,25).
What are the key properties of 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide?
2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide has a molecular weight of 413.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 146323433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).